COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK906877
Chemical Name: (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Smiles: Fc1ccc(cc1)/C=C/c1nc2n(n1)c(=O)/c(=C/c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)/s2

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Molecular Weight: 477.6
Empirical Formula: C27H28FN3O2S

Physical State: Dry powder
Available Amount: 396 mg

Lipinsky:
logP: 8.464
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 93
Number of rings: 4

     

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